Structure Database (LMSD)
Common Name
Sorbaldehyde
Systematic Name
2,4-hexadienal
Synonyms
- Sorbic aldehyde
3D model of Sorbaldehyde
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
BATOPAZDIZEVQF-MQQKCMAXSA-N
InChi (Click to copy)
InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3/b3-2+,5-4+
SMILES (Click to copy)
C/C=C/C=C/C([H])=O
References
Calculated Physicochemical Properties
Heavy Atoms
7
Rings
0
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
113.23
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
1.32
Molar Refractivity
30.02
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Updated at
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